1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C18H22N6S — CID 3210270

IUPAC1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C18H22N6S/c1-22-9-11-23(12-10-22)17(15-6-3-2-4-7-15)18-19-20-21-24(18)14-16-8-5-13-25-16/h2-8,13,17H,9-12,14H2,1H3
InChIKeyIPUZWWUITFBFJF-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.12
Rot. Bonds5

About 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3210270) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3210270
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C18H22N6S/c1-22-9-11-23(12-10-22)17(15-6-3-2-4-7-15)18-19-20-21-24(18)14-16-8-5-13-25-16/h2-8,13,17H,9-12,14H2,1H3
InChIKeyIPUZWWUITFBFJF-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3210270) is 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CN1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is IPUZWWUITFBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-22-9-11-23(12-10-22)17(15-6-3-2-4-7-15)18-19-20-21-24(18)14-16-8-5-13-25-16/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 354.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3210270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).